2-tert-butyl-N-(piperidin-3-ylmethyl)aniline

C16H26N2 — CID 79018960

IUPAC2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
SMILESCC(C)(C)c1ccccc1NCC1CCCNC1
InChIInChI=1S/C16H26N2/c1-16(2,3)14-8-4-5-9-15(14)18-12-13-7-6-10-17-11-13/h4-5,8-9,13,17-18H,6-7,10-12H2,1-3H3
InChIKeyQNBXDIDQGGJOIF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.40
Rot. Bonds3

About 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline

2-tert-butyl-N-(piperidin-3-ylmethyl)aniline (PubChem CID 79018960) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
PubChem CID79018960
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
SMILESCC(C)(C)c1ccccc1NCC1CCCNC1
InChIInChI=1S/C16H26N2/c1-16(2,3)14-8-4-5-9-15(14)18-12-13-7-6-10-17-11-13/h4-5,8-9,13,17-18H,6-7,10-12H2,1-3H3
InChIKeyQNBXDIDQGGJOIF-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
2-(difluoromethylsulfanyl)-N-(piperidin-3-ylmethyl)aniline
CID 80553229
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
5-(piperidin-3-ylmethylamino)naphthalen-1-ol
CID 80554062
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
N-(piperidin-3-ylmethyl)quinolin-5-amine
CID 80552964
2-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563795
2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline (CID 79018960) is 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline is CC(C)(C)c1ccccc1NCC1CCCNC1.
What is the InChIKey of 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is QNBXDIDQGGJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)14-8-4-5-9-15(14)18-12-13-7-6-10-17-11-13/h4-5,8-9,13,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline?
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 79018960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).